2,3,17BETA-TRIHYDROXY-1,3,5(10)-ESTRATRIENE

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as estrogens and derivatives. These are steroids with a structure containing a 3-hydroxylated estrane.

Estrogens and derivatives

Organic compounds

Lipids and lipid-like molecules

Steroids and steroid derivatives

Estrane steroids

Calculated Property

kind Value Source
logP 3.39 ALOGPS
logS -3.8 ALOGPS
Water Solubility 5.11e-02 g/l ALOGPS
logP 3.44 ChemAxon
IUPAC Name (1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2(7),3,5-triene-4,5,14-triol ChemAxon
Traditional IUPAC Name 2-hydroxyestradiol ChemAxon
Molecular Weight 288.3814 ChemAxon
Monoisotopic Weight 288.172544634 ChemAxon
SMILES [H][C@]1(O)CC[C@@]2([H])[C@]3([H])CCC4=C(C=C(O)C(O)=C4)[C@@]3([H])CC[C@]12C ChemAxon
Molecular Formula C18H24O3 ChemAxon
InChI InChI=1S/C18H24O3/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-15(19)16(20)9-13(10)11/h8-9,11-12,14,17,19-21H,2-7H2,1H3/t11-,12+,14-,17-,18-/m0/s1 ChemAxon
InChIKey InChIKey=DILDHNKDVHLEQB-XSSYPUMDSA-N ChemAxon
Polar Surface Area (PSA) 60.69 ChemAxon
Refractivity 81.89 ChemAxon
Polarizability 33.06 ChemAxon
Rotatable Bond Count 0 ChemAxon
H Bond Acceptor Count 3 ChemAxon
H Bond Donor Count 3 ChemAxon
pKa (strongest acidic) 9.67 ChemAxon
pKa (strongest basic) -0.88 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 4 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Adenylate cyclase : in Arthrospira platensis